SCHEMBL18708556

SCHEMBL18708556

CC(O)(O)c1ccnc(CNCCCNCCOc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 12/20 0.50
▸ DRD2 P14416 11/20 0.50
▸ DRD3 P35462 8/20 0.50
▸ KDM4E B2RXH2 5/20 0.46
▸ MITF O75030 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ FDPS P14324 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15637880 0.79 DRD4 (0.52) DRD4DRD2DRD3KDM4E
SCHEMBL19676449 0.79 DRD4 (0.52) DRD4DRD2DRD3GAA
SCHEMBL11896615 0.71 DRD4 (1.00) DRD4DRD2DRD3GAA
Hydrochloric Acid SCHEMBL8042280 0.69 DRD2 (0.69) DRD4DRD2DRD3KDM4EMITF
Hydrochloric Acid SCHEMBL8055377 0.69 DRD4 (0.96) DRD4DRD2DRD3GAA
SCHEMBL10476759 0.69 DRD4 (0.95) DRD4DRD2DRD3GAA
SCHEMBL19676414 0.69 GLS (0.41) KMT2AMEN1
SCHEMBL19549135 0.68 KDM5B (0.48) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8054973 0.68 DRD4 (0.91) DRD4DRD2DRD3GAA
SCHEMBL8938905 0.67 DRD4 (0.91) DRD4DRD2DRD3GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
Send feedback